SCHEMBL298631

SCHEMBL298631

CCN(CC)C(=O)CCc1cnc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
FGFR1 P11362 1/20 0.52
CDK8 P49336 13/20 0.46
ABL1 P00519 1/20 0.43
KLKB1 P03952 1/20 0.42
MAP4K4 O95819 2/20 0.41
CHEK2 O96017 2/20 0.41
CDK1 P06493 2/20 0.41
FES P07332 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41
FLT4 P35916 2/20 0.41
IRAK1 P51617 2/20 0.41
ROCK1 Q13464 2/20 0.41
PKN2 Q16513 2/20 0.41
MARK2 Q7KZI7 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
AURKB Q96GD4 2/20 0.41
SLK Q9H2G2 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL299515 0.81 KDR (0.56) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL297807 0.80 KDR (0.63) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL1873717 0.79 KDR (0.53) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL19891723 0.78 KDR (0.62) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL11990128 0.77 KDR (0.66) KDRFGFR1CDK8ABL1KLKB1
SCHEMBL3263731 0.76 KDR (0.61) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL4562744 0.74 CDK8 (0.65) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL91324 0.74 KDR (0.60) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL29858603 0.74 KDR (0.60) KDRFGFR1CDK8ABL1MAP4K4
SCHEMBL298334 0.74 KDR (0.54) KDRFGFR1CDK8ABL1KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KDR 1406/4885FGFR1 129/4885CDK8 271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.